REMARK Name = BDB042066 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.293 -2.277 -0.144 0.00 0.00 +0.247 C ATOM 2 N LIG 1 -0.985 -1.947 0.316 0.00 0.00 -0.295 N ATOM 3 C LIG 1 -2.097 -2.664 -0.311 0.00 0.00 +0.123 C ATOM 4 C LIG 1 -3.411 -2.540 0.481 0.00 0.00 +0.104 C ATOM 5 N LIG 1 -3.804 -1.150 0.837 0.00 0.00 -0.289 NA ATOM 6 C LIG 1 -2.652 -0.551 1.559 0.00 0.00 +0.104 C ATOM 7 C LIG 1 -1.308 -0.601 0.808 0.00 0.00 +0.123 C ATOM 8 O LIG 1 0.504 -3.114 -1.019 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 15 ATOM 9 N LIG 1 5.478 0.690 0.642 0.00 0.00 -0.282 N ATOM 10 C LIG 1 4.952 0.261 1.850 0.00 0.00 +0.248 C ATOM 11 O LIG 1 5.431 0.382 2.961 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 3.690 -0.421 1.544 0.00 0.00 +0.042 A ATOM 13 C LIG 1 3.524 -0.424 0.159 0.00 0.00 -0.017 A ATOM 14 C LIG 1 2.412 -1.021 -0.409 0.00 0.00 +0.019 A ATOM 15 C LIG 1 1.468 -1.602 0.451 0.00 0.00 +0.037 A ATOM 16 C LIG 1 1.663 -1.618 1.850 0.00 0.00 +0.014 A ATOM 17 C LIG 1 2.788 -1.011 2.412 0.00 0.00 +0.014 A ATOM 18 C LIG 1 4.677 0.261 -0.499 0.00 0.00 +0.144 C BRANCH 9 25 ATOM 19 O LIG 1 10.490 1.979 -1.239 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 9.420 1.774 -0.674 0.00 0.00 +0.219 C ATOM 21 N LIG 1 8.308 2.518 -0.977 0.00 0.00 -0.255 N ATOM 22 H LIG 1 8.426 3.187 -1.727 0.00 0.00 +0.158 HD ATOM 23 C LIG 1 7.007 2.264 -0.607 0.00 0.00 +0.240 C ATOM 24 O LIG 1 6.085 2.862 -1.157 0.00 0.00 -0.273 OA ATOM 25 C LIG 1 6.824 1.246 0.530 0.00 0.00 +0.163 C ATOM 26 C LIG 1 7.864 0.134 0.392 0.00 0.00 +0.041 C ATOM 27 C LIG 1 9.261 0.731 0.405 0.00 0.00 +0.098 C ENDBRANCH 9 25 ENDBRANCH 1 15 BRANCH 5 28 ATOM 28 C LIG 1 -4.221 -0.351 -0.353 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 C LIG 1 -4.571 1.105 -0.016 0.00 0.00 -0.023 A ATOM 30 C LIG 1 -5.396 1.433 1.074 0.00 0.00 +0.043 A ATOM 31 C LIG 1 -5.709 2.761 1.341 0.00 0.00 +0.124 A ATOM 32 F LIG 1 -6.489 3.056 2.389 0.00 0.00 -0.205 F ATOM 33 C LIG 1 -5.223 3.787 0.541 0.00 0.00 +0.038 A ATOM 34 C LIG 1 -4.411 3.481 -0.548 0.00 0.00 +0.003 A ATOM 35 C LIG 1 -4.089 2.149 -0.827 0.00 0.00 +0.006 A ENDBRANCH 28 29 BRANCH 28 36 ATOM 36 C LIG 1 -5.387 -0.980 -1.127 0.00 0.00 -0.023 A ATOM 37 C LIG 1 -5.335 -1.054 -2.529 0.00 0.00 +0.043 A ATOM 38 C LIG 1 -6.397 -1.604 -3.240 0.00 0.00 +0.124 A ATOM 39 F LIG 1 -6.329 -1.668 -4.577 0.00 0.00 -0.205 F ATOM 40 C LIG 1 -7.526 -2.086 -2.590 0.00 0.00 +0.038 A ATOM 41 C LIG 1 -7.597 -2.016 -1.201 0.00 0.00 +0.003 A ATOM 42 C LIG 1 -6.537 -1.465 -0.475 0.00 0.00 +0.006 A ENDBRANCH 28 36 ENDBRANCH 5 28 TORSDOF 5